# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3bc024c6-96de-41c0-a55e-5b566014c42c/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[First-principles lattice thermal conductivity calculation for MgTa2O6 / P4_2/mnm (136) / materials id 9650](https://mdr.nims.go.jp/datasets/787e903c-07f3-483e-a88e-901741b197cf)

## Fulltext

elements:      [O, Mg, Ta]cutoff:        8.0pair_type:     gaussianfeature_type:  gtinvmodel_type:    3max_p:         2max_l:         8gtinv_order:   3gtinv_maxl:    [8, 8]gtinv_sym:     [0, 0]gtinv_version: 1electrostatic: 0mass:          [16.0, 24.31, 180.9]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair:      [0, 0]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [2, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full:    1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.244997216040270e+01, -7.236052567583820e-02, 1.007451405697935e-01, 0.000000000000000e+00, 3.509799671396788e+00, 1.006705869491546e+01, 3.889303668631168e+03, -4.678577237538698e+03, 3.429117009922838e+02, 1.287729942547752e+01, -3.646891055536292e+01, 0.000000000000000e+00, -1.359087814704236e+03, 2.842699500643628e+01, 6.644725006953460e+02, 7.270823143287186e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.148408638032423e+05, -2.374344874333614e+06, 2.522240913541082e+06, -1.027115251718998e+04, -6.865500543002679e+01, 1.190962348412329e+01, -9.288992995786725e+01, 1.531266679004635e+02, 0.000000000000000e+00, 2.659106165816288e+05, -1.936713732041312e+02, 3.190029981210503e+03, -1.654741820946154e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.811666633250946e+06, 6.815806977174023e+06, -1.150408065835586e+06, 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